Compound Detail
CHEMBL452568
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Basic Information
| ChEMBL ID | CHEMBL452568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVKDAFDVVQZNJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
1.45
ALogP
2
HBA
2
HBD
59.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.27 | 5.27 | 5370.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5370.32 | nM | 5.27 | Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex... | 18678494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678494 | 10.1016/j.bmc.2008.07.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine